SCHEMBL20768762

SCHEMBL20768762

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC12CC2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.62
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 9/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 1/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20768864 0.93 SMYD3 (0.59) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL20768826 0.91 SMYD3 (0.63) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL18705780 0.87 SMYD3 (0.77) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL18706141 0.87 MAPT (0.65) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL20768803 0.87 SMYD3 (0.77) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL18705832 0.83 MAPT (0.62) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL18705822 0.82 SMYD3 (0.77) SMYD3KMT2AALDH1A1HTTMAPK1
SCHEMBL20769080 0.81 SMYD3 (0.69) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL20768944 0.79 ALDH1A1 (0.64) SMYD3KMT2AALDH1A1HTTMAPT
SCHEMBL20768785 0.79 SMYD3 (0.61) SMYD3KMT2AALDH1A1HTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SMYD3 1/4885KMT2A 29/4885ALDH1A1 373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.